AWE has many packages listed as dependencies that are not necessarily dependencies (e.g. GROMACS--the user does not need to have it installed to run AWE because static binaries are included). Additionally, set up is painful and not publicly well-documented. For both of these reasons an installation script is needed with updated directions.
The install script should allow users to specify a path and install Anaconda3, AWE, and any necessary Python packages not included in Anaconda3.
AWE has many packages listed as dependencies that are not necessarily dependencies (e.g. GROMACS--the user does not need to have it installed to run AWE because static binaries are included). Additionally, set up is painful and not publicly well-documented. For both of these reasons an installation script is needed with updated directions.
The install script should allow users to specify a path and install Anaconda3, AWE, and any necessary Python packages not included in Anaconda3.